N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide

C12H20N2O — CID 112723968

IUPACN-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C12H20N2O/c1-2-7-13-8-11(15)14-12(9-3-4-9)10-5-6-10/h2,9-10,12-13H,1,3-8H2,(H,14,15)
InChIKeyNRJRAIQMWHSUFH-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.07
Rot. Bonds7

About N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide

N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide (PubChem CID 112723968) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide
PubChem CID112723968
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C1CC1)C1CC1
InChIInChI=1S/C12H20N2O/c1-2-7-13-8-11(15)14-12(9-3-4-9)10-5-6-10/h2,9-10,12-13H,1,3-8H2,(H,14,15)
InChIKeyNRJRAIQMWHSUFH-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide (CID 112723968) is N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide?
The InChIKey is NRJRAIQMWHSUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-2-7-13-8-11(15)14-12(9-3-4-9)10-5-6-10/h2,9-10,12-13H,1,3-8H2,(H,14,15).
What are the key properties of N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide?
N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide has a molecular weight of 208.30 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 112723968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).